9-[2,6-diphenyl-4-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole

C55H36N6 — CID 169056520

IUPAC9-[2,6-diphenyl-4-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2c(-c3ccccc3)cc(-c3nc(-c4cccnc4)nc(-c4ccccn4)n3)cc2-c2ccccc2)cc1
InChIInChI=1S/C55H36N6/c1-5-16-37(17-6-1)41-26-28-50-47(32-41)48-33-42(38-18-7-2-8-19-38)27-29-51(48)61(50)52-45(39-20-9-3-10-21-39)34-44(35-46(52)40-22-11-4-12-23-40)54-58-53(43-24-15-30-56-36-43)59-55(60-54)49-25-13-14-31-57-49/h1-36H
InChIKeyJTIQNXFUUXASBZ-UHFFFAOYSA-N
MW780.94 g/mol
LogP13.43
Rot. Bonds8

About 9-[2,6-diphenyl-4-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole

9-[2,6-diphenyl-4-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole (PubChem CID 169056520) has the molecular formula C55H36N6 and a molecular weight of 780.94 g/mol. Its IUPAC name is 9-[2,6-diphenyl-4-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole.

Molecular Properties

Compound Name9-[2,6-diphenyl-4-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole
PubChem CID169056520
Molecular FormulaC55H36N6
Molecular Weight780.94 g/mol
Exact Mass780.30
IUPAC Name9-[2,6-diphenyl-4-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2c(-c3ccccc3)cc(-c3nc(-c4cccnc4)nc(-c4ccccn4)n3)cc2-c2ccccc2)cc1
InChIInChI=1S/C55H36N6/c1-5-16-37(17-6-1)41-26-28-50-47(32-41)48-33-42(38-18-7-2-8-19-38)27-29-51(48)61(50)52-45(39-20-9-3-10-21-39)34-44(35-46(52)40-22-11-4-12-23-40)54-58-53(43-24-15-30-56-36-43)59-55(60-54)49-25-13-14-31-57-49/h1-36H
InChIKeyJTIQNXFUUXASBZ-UHFFFAOYSA-N
XLogP13.43
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.94
LogP ≤ 513.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole
CID 167403537
2-[3-phenyl-4-(3-phenylphenyl)phenyl]-4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazine
CID 146187345
9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dipyridin-2-ylcarbazole
CID 167168656
9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3-phenylcarbazole
CID 146280577
9-[2,6-diphenyl-4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-phenylcarbazole
CID 146280804
6-[4-[4-(3,5-diphenylphenyl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 168748033
9-[4-(3,6-diphenylcarbazol-9-yl)-2,6-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 138701287
11-phenyl-4-[4-(3-phenylphenyl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole;11-phenyl-4-[4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole
CID 163428681
3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole
CID 138578744
9-[2,6-di(carbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-pyridin-2-yl-3-pyridinyl]-3,6-diphenylcarbazole
CID 137368341
2,4-diphenyl-6-[3-phenyl-5-[3-[3-[3-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-phenyl-5-[3-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine;2-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine;3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 159392802
4-[3-(4-cyanophenyl)-2-(3,6-diphenylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile
CID 155446971

Frequently Asked Questions

What is the IUPAC name of 9-[2,6-diphenyl-4-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole?
The IUPAC name of 9-[2,6-diphenyl-4-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole (CID 169056520) is 9-[2,6-diphenyl-4-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole.
What is the SMILES notation for 9-[2,6-diphenyl-4-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole?
The canonical SMILES for 9-[2,6-diphenyl-4-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2c(-c3ccccc3)cc(-c3nc(-c4cccnc4)nc(-c4ccccn4)n3)cc2-c2ccccc2)cc1.
What is the InChIKey of 9-[2,6-diphenyl-4-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole?
The InChIKey is JTIQNXFUUXASBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N6/c1-5-16-37(17-6-1)41-26-28-50-47(32-41)48-33-42(38-18-7-2-8-19-38)27-29-51(48)61(50)52-45(39-20-9-3-10-21-39)34-44(35-46(52)40-22-11-4-12-23-40)54-58-53(43-24-15-30-56-36-43)59-55(60-54)49-25-13-14-31-57-49/h1-36H.
What are the key properties of 9-[2,6-diphenyl-4-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole?
9-[2,6-diphenyl-4-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole has a molecular weight of 780.94 g/mol, XLogP of 13.43, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,6-diphenyl-4-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole is sourced from PubChem (CID 169056520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).